(Q104988000)

English

(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-15-one

chemical compound

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instance of

type of chemical entity

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subclass of

6-(hydroxymethyl)-3',3a,6,9a,11a-pentamethyl-5'-propanoyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5,5a,7,8,9,10,11-octahydro-2H-spiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-3-one

1 reference

based on heuristic

inferred from SMILES

mass

634.371697928 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₄O₁₀

0 references

canonical SMILES

O=C(CC)C1OC2(CC(=O)C3(C4=C(CCC32C)C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CC4)C)C(C)C1

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isomeric SMILES

CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC(=O)[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@@H]2CC4)O1

0 references

found in taxon

Muscari armeniacum

1 reference

stated in

Glycosides from Muscari armeniacum and Muscari botryoides. Isolation and structure of Muscarosides G–N

Identifiers

InChI

InChI=1S/C35H54O10/c1-7-21(38)22-14-18(2)35(45-22)15-25(39)34(6)20-8-9-24-31(3,19(20)10-13-33(34,35)5)12-11-26(32(24,4)17-37)44-30-29(42)28(41)27(40)23(16-36)43-30/h18,22-24,26-30,36-37,40-42H,7-17H2,1-6H3/t18-,22+,23-,24-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+/m1/s1

0 references

InChIKey

DSSVQNFXFORKJL-KFIDPHSRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DSSVQNFXFORKJL-KFIDPHSRSA-N

(Q104988000)

(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-15-one

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Identifiers

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